SCHEMBL7430512

SCHEMBL7430512

CCCCCn1c(=O)c(C2CC3CCC(C2)N3C)c(C(=O)O)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 5/20 0.56
HTR3B O95264 5/20 0.56
HTR3A P46098 5/20 0.56
HTR3D Q70Z44 5/20 0.56
HTR3C Q8WXA8 5/20 0.56
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 3/20 0.47
MAPT P10636 1/20 0.47
CNR2 P34972 2/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 2/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7432574 0.97 HTR3A (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7434788 0.93 HTR3A (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7484945 0.82 HTR3A (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7443724 0.80 HTR3A (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29280449 0.74 MEN1 (0.74) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL7439911 0.74 HTR3A (0.68) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7438581 0.74 HTR3E (0.85) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9680491 0.73 HTR3A (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7435237 0.73 HTR3A (0.78) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6126717 0.73 HTT (0.74) MEN1KMT2AKDM4EMAPTPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5248684-A CERTAIN 2-OXO-QUINOLINE CARBOXYLATES OR CORRESPONDING CARBOXAMIDES USEFUL AS ANTI-EMETICS AND SUPPRESSANTS OF MIGRAINE KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-09-28 US disclosed
EP-0458636-A1 Antiemetic and migraine suppressing heterocyclic compounds and pharmaceutical compositions containing them KYOWA HAKKO KOGYO CO., LTD (JP) 1991-11-27 EP disclosed